CID 18605699

D-glucose, ether with glycerol

Structural Information

Molecular Formula
C12H22O11
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-5(17)9(19)11(21)7(3-15)23-8(4-16)12(22)10(20)6(18)2-14/h3-14,17-22H,1-2H2/t5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
InChIKey
SLXLBNNEMBRKON-VGEDYCIUSA-N
Compound name
(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxyhexanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

423
Patents

342.1162 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12348 172.5
[M+Na]+ 365.10542 183.3
[M-H]- 341.10892 184.9
[M+NH4]+ 360.15002 181.5
[M+K]+ 381.07936 173.1
[M+H-H2O]+ 325.11346 166.6
[M+HCOO]- 387.11440 170.7
[M+CH3COO]- 401.13005 197.5
[M+Na-2H]- 363.09087 163.5
[M]+ 342.11565 176.2
[M]- 342.11675 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe